CID 2772335

1-(3-methylphenyl)-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula
C12H11NO
SMILES
CC1=CC(=CC=C1)N2C=CC=C2C=O
InChI
InChI=1S/C12H11NO/c1-10-4-2-5-11(8-10)13-7-3-6-12(13)9-14/h2-9H,1H3
InChIKey
RALCOJSRRRTXKX-UHFFFAOYSA-N
Compound name
1-(3-methylphenyl)pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.08406 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.09134 138.1
[M+Na]+ 208.07328 147.8
[M-H]- 184.07678 144.2
[M+NH4]+ 203.11788 158.6
[M+K]+ 224.04722 144.4
[M+H-H2O]+ 168.08132 131.1
[M+HCOO]- 230.08226 163.1
[M+CH3COO]- 244.09791 182.0
[M+Na-2H]- 206.05873 143.3
[M]+ 185.08351 139.3
[M]- 185.08461 139.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.